{"id":"W2328954356","doi":"10.1021/om500472b","title":"Fluoro and Trifluoromethyl Derivatives of POCOP-Type Pincer Complexes of Nickel: Preparation and Reactivities in S<sub>N</sub>2 Fluorination and Direct Benzylation of Unactivated Arenes","year":2014,"lang":"en","type":"article","venue":"Organometallics","topic":"Fluorine in Organic Chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":51,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds Québécois de la Recherche sur la Nature et les Technologies; Centre in Green Chemistry and Catalysis","keywords":"Chemistry; Benzyl bromide; Medicinal chemistry; Toluene; Bromide; Trifluoromethyl; Trifluoromethylation; Pincer movement; Nuclear magnetic resonance spectroscopy; Pincer ligand; Derivative (finance); Fluoride; Catalysis; Stereochemistry; Organic chemistry; Inorganic chemistry; Alkyl","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001784296,0.0004314806,0.0002803932,0.0001640559,0.0001491341,0.0002834406,0.0003855957,0.000296641,0.001027804],"category_scores_gemma":[0.0003187754,0.0001598468,0.0001826024,0.0001619133,0.0002867299,0.0002720765,0.0002555662,0.0003615769,0.000276795],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002364851,"about_ca_system_score_gemma":0.0001529533,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004614926,"about_ca_topic_score_gemma":0.000914138,"domain_scores_codex":[0.9998096,0.00003006344,0.00001311172,0.00003833354,0.00006002882,0.00004885878],"domain_scores_gemma":[0.9998658,0.00002204063,0.00004638659,0.00002483437,0.0000215079,0.00001951542],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002079328,0.00001485929,0.0001358934,0.0001047585,0.00001239051,0.0001084087,0.00006177226,0.0001494938,0.9969896,0.000158407,0.00003927195,0.00201708],"study_design_scores_gemma":[0.000007963115,0.000134434,0.0003848873,0.000002973913,0.000007021287,0.0001291361,0.000009760203,0.0001156704,0.9983857,0.00001089374,0.0008073819,0.000004169738],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9920782,0.0008716722,0.003091294,0.00003470728,0.00001358383,0.00005406854,0.000156954,0.00006880777,0.003630588],"genre_scores_gemma":[0.994619,0.0005290126,0.002774384,0.00002782674,0.000005553657,0.00003098597,0.0001931953,0.00003436976,0.001785546],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001027804,"threshold_uncertainty_score":0.003438294,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04429030511471434,"score_gpt":0.3569562391136965,"score_spread":0.3126659339989822,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}